N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[[4-(3,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[4-(3,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[[4-(3,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-iodo-benzamide Formula: C20H21IN4O3S MolecularWeight: 524.37521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2I)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2I)C

InChI

InChI=1S/C20H21IN4O3S/c1-12-7-8-14(11-13(12)2)22-17(26)9-10-18(27)24-25-20(29)23-19(28)15-5-3-4-6-16(15)21/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,29)